Related papers: Lattice Dynamics and Thermal Equation of State of …
We review our recent development of a first-principles lattice dynamics method that can treat anharmonic effects nonperturbatively. The method is based on the self-consistent phonon theory and temperature-dependent phonon frequencies can be…
I review recent progress in finite temperature lattice calculations, including calculations of Equation of State, fluctuations of conserved charges and spatial correlation functions. I compare lattice results with the predictions of hadron…
During the evolution of coupled nonlinear oscillators on a lattice, with dynamics dictated by the discrete nonlinear Schr\"odinger equation (DNLSE systems), two quantities are conserved: system energy (Hamiltonian) and system density…
A methodology for calculating the contribution of charged defects to the configurational free energy of an ionic crystal is introduced. The temperature-independent Wang-Landau Monte Carlo technique is applied to a simple model of a solid…
Phonon frequency moments and thermodynamic functions (electrostatic and vibrational parts of the free energy, internal energy, and heat capacity) are calculated for bcc and fcc Coulomb crystals in the harmonic approximation with a…
Dilute gases of 2-component fermions are of great interest in atomic and nuclear physics. When interactions are strong enough so that a bound state is at threshold, universal behavior is expected. Lattice field theory provides a first…
We calculate the thermal conductivity (\k{appa}) of both bulk crystalline and single-chain polyethylene (PE) using the first-principles-based anharmonic lattice dynamics. Despite its low \k{appa} in amorphous state, the predicted bulk…
Due to a rapid change of the entropy density $s(T)$ across the critical temperature $T_c$ of the QCD phase transition, the pressure $P(T)$ and the energy density $e(T)$ above $T_c$ generally deviate from their Stefan-Boltzmann values. We…
A suite measurements of the electrical, thermal, and vibrational properties are conducted on palladium sulfide (PdS) in order to investigate its thermoelectric performance. The tetragonal structure with the space group $P$42/$m$ for PdS is…
We present results of a first study of equation of state in finite-temperature QCD with two flavors of Wilson-type quarks. Simulations are made on lattices with temporal size $N_t=4$ and 6, using an RG-improved action for the gluon sector…
There has been a surge of experimental effort recently in cooling trapped fermionic atoms to quantum degeneracy. By varying an external magnetic field, interactions between atoms can be made arbitrarily strong. When the S wave scattering…
A critical point (E) is expected in QCD on the temperature (T) versus baryonic chemical potential (\mu) plane. Using a recently proposed lattice method for \mu \neq 0 we study dynamical QCD with n_f=2+1 staggered quarks of physical masses…
The element Ce exhibits an isostructural $\gamma-\alpha$ phase transition with a 15\% volume change at room temperature. The phase boundary ends in a critical point at 1.5 GPa and 480 K. We describe a model for the equation of state of Ce…
Existing Quantum Monte Carlo studies have investigated the properties of fermions on a Lieb (CuO$_2$) lattice interacting with an on-site, or near-neighbor electron-electron coupling. Attention has focused on the interplay of such…
A solid with larger sound speeds exhibits higher lattice thermal conductivity (k_{lat}). Diamond is a prominent instance where its mean sound speed is 14400 m s-1 and k_{lat} is 2300 W m-1 K-1. Here, we report an extreme exception that CuP2…
Based on classical statistical thermodynamics, we develop a theoretical approach that provides new insight into how macroscopic and microscopic physical properties are bridged via crystal lattice for condensed mat- ters. We find that in…
First-principles phonon calculations along with Kohn-Sham density functional theory (DFT) is an essential tool to study the lattice dynamics, thermodynamical properties and phase-transitions of materials. The two full-Heusler compounds…
The Equation of State and the properties of matter in the high temperature deconfined phase are analyzed by a quasiparticle approach for $T> 1.2~T_c$. In order to fix the parameters of our model we employ the lattice QCD data of energy…
We present the non-perturbative computation of the entropy density in QCD for temperatures ranging from 3 GeV up to the electro-weak scale, using $N_f=3$ flavours of massless O$(a)$-improved Wilson fermions. We adopt a new strategy designed…
The effect of electron-phonon coupling (EPC) on Dirac fermions has recently been explored numerically on a honeycomb lattice, leading to precise quantitative values for the finite temperature and quantum critical points. In this paper, we…